5JP9

Crystal Structure of cytidine monophosphate hydroxymethylase MilA with dCMP

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	109.298, 109.298, 113.155
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.210 - 2.101
R-factor	0.1574
Rwork	0.155
R-free	0.20630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jnh
RMSD bond length	0.007
RMSD bond angle	0.862
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.118	0.059	0.329
Rmeas	0.124	0.062	0.344
Rpim	0.037	0.019	0.102
Total number of observations	484354
Number of reflections	44002
<I/σ(I)>	8.8
Completeness [%]	95.8	99.9	100
Redundancy	11	10.8	11.3
CC(1/2)		0.997	0.970

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