1VDR

DIHYDROFOLATE REDUCTASE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	295
Detector technology	AREA DETECTOR
Collection date	1990-01
Detector	SIEMENS
Spacegroup name	C 1 2 1
Unit cell lengths	70.870, 59.450, 78.150
Unit cell angles	90.00, 95.80, 90.00

Refinement procedure

Resolution	7.000 - 2.550
R-factor	0.184
Rwork	0.184
R-free	0.30000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SUPERPOSITION OF 7 MODELS: 4DFR 5dfr 6dfr 7dfr 8dfr 3dfr MODELED HV-DHFR
RMSD bond length	0.013
RMSD bond angle	3.200
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.710
High resolution limit [Å]	2.550	2.550
Rmerge	0.073	0.271
Number of reflections	10496
<I/σ(I)>	18.2	2.4
Completeness [%]	98.0	88 *
Redundancy	2.8	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7 *		HANGING DROP VAPOR DIFFUSION. THE RESERVOIR SOLUTION CONTAINED 2.4M PHOSPHATE BUFFER (PH 7.8-8.0), 0.25-0.5% PEG 1000 AND 2MM METHOTREXATE. THE DROPS CONTAINED EQUAL VOLUMES OF RESERVOIR SOLUTION AND 10 MG/ML PROTEIN SOLUTION IN 0.1M PHOSPHATE BUFFER AT PH7.0., pH 7.9, vapor diffusion - hanging drop

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	phosphate	2.4 (M)
2	1	reservoir	PEG1000	0.25-0.5 (%)
3	1	reservoir	methotrexate	2 (mM)
4	1	drop	protein	10 (mg/ml)
5	1	drop	phosphate	0.1 (M)