1ZRQ

Escherichia coli Methylenetetrahydrofolate Reductase (reduced) complexed with NADH, pH 6.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2002-05-23
Detector	ADSC QUANTUM 1
Spacegroup name	C 1 2 1
Unit cell lengths	102.187, 128.155, 96.861
Unit cell angles	90.00, 120.94, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.219
Rwork	0.219
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b5t
RMSD bond length	0.007
RMSD bond angle	1.300
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	54123
<I/σ(I)>	11.9	2.8
Completeness [%]	100.0	99.9
Redundancy	2.34

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6	295	PEG 4000, LITHIUM SULFATE, SODIUM CACODYLATE, ETHANOL, MESO-ERYTHRITOL, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K, pH 6.00