5B6D

Crystal Structure of cytidine monophosphate hydroxymethylase MilA with CMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97912
Spacegroup name	P 32 2 1
Unit cell lengths	109.601, 109.601, 113.432
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.459 - 1.650
R-factor	0.1726
Rwork	0.171
R-free	0.19350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jnh
RMSD bond length	0.006
RMSD bond angle	0.811
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.710
High resolution limit [Å]	1.650	3.550	1.650
Rmerge	0.132	0.094	0.885
Number of reflections	91579
<I/σ(I)>	4.4
Completeness [%]	96.6	92.2	100
Redundancy	6.7	6.3	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8.5	289	0.1 M sodium cacodylate trihydrate(pH 6.5), 1.4 M sodium acetate trihydrate