1AI9

CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE

Experimental procedure

Source type	ROTATING ANODE
Source details	ELLIOTT GX-21
Temperature [K]	295
Detector technology	AREA DETECTOR
Collection date	1987-05
Detector	SIEMENS
Spacegroup name	P 1 21 1
Unit cell lengths	77.200, 67.570, 38.660
Unit cell angles	90.00, 93.06, 90.00

Refinement procedure

Resolution	10.000 - 1.850
R-factor	0.199 *
Rwork	0.199
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	MURINE DHFR
RMSD bond length	0.025
RMSD bond angle	0.038
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	MERLOT
Refinement software	PROFFT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		1.950
High resolution limit [Å]	1.830	1.830
Rmerge	0.070 *
Total number of observations	140620 *
Number of reflections	31520
<I/σ(I)>	16.9	3.11
Completeness [%]	90.3	83.5
Redundancy	4.46	2.26

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5	4 *	17-20 MG/ML C. ALBICANS DHFR IN 20 MM KMES, 1 MM DTT, 0.1 MM EDTA, 20% GLYERCOL, PH 7.5 WAS MIXED WITH AN EQUAL PART OF 26 - 34% PEG-3350, THE RESERVOIR SOLUTION.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	17-20 (mg/ml)
2	1	reservoir	PEG3350	26-34 (%)